[gmx-users] protein fragmented issue for minimization

[Justin Lemkul]

On 12/13/17 1:27 PM, MD wrote:
> How about letting gromacs think that it is one protein with two chains?

You can do that, but whether or not it makes sense is up to you. I'd say 
that in general, lazily choosing to not model in a missing segment is 
going to cause people to not believe your work. You'll get a lot of 
artificiality at the fake termini.

-Justin

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Justin A. Lemkul, Ph.D.
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